3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1H-benzimidazol-2-ylmethylthio)-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H18N6O2S/c1-25-12-5-4-6-13(9-12)26-10-17-22-23-18(24(17)19)27-11-16-20-14-7-2-3-8-15(14)21-16/h2-9H,10-11,19H2,1H3,(H,20,21)